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CAS No.: | 27983-04-6 |
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Name: | 1-(3-Bromopropoxy)-4-chlorobenzene |
Article Data: | 37 |
Molecular Structure: | |
Formula: | C9H10BrClO |
Molecular Weight: | 249.535 |
Synonyms: | 3-Bromopropyl 4-chlorophenyl ether; |
Density: | 1.454 g/cm3 |
Melting Point: | 34.0-35 °C(Solv: ethanol (64-17-5)) |
Boiling Point: | 303.5 °C at 760 mmHg |
Flash Point: | 137.3 °C |
PSA: | 9.23000 |
LogP: | 3.50380 |
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The Benzene, 1-(3-bromopropoxy)-4-chloro-, with the CAS registry number 27983-04-6, is also known as 3-Bromopropyl 4-chlorophenyl ether. This chemical's molecular formula is C9H10BrClO and molecular weight is 249.53. What's more, its systematic name is 1-(3-bromopropoxy)-4-chlorobenzene.
Physical properties of Benzene, 1-(3-bromopropoxy)-4-chloro- are: (1)ACD/LogP: 3.98; (2) # of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 9.23 Å2; (7)Index of Refraction: 1.551; (8)Molar Refractivity: 54.82 cm3; (9)Molar Volume: 171.5 cm3; (10)Polarizability: 21.73×10-24cm3; (11)Surface Tension: 40 dyne/cm; (12)Density: 1.454 g/cm3; (13)Flash Point: 137.3 °C; (14)Enthalpy of Vaporization: 52.21 kJ/mol; (15)Boiling Point: 303.5 °C at 760 mmHg; (16)Vapour Pressure: 0.00167 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1OCCCBr)Cl
(2)InChI: InChI=1S/C9H10BrClO/c10-6-1-7-12-9-4-2-8(11)3-5-9/h2-5H,1,6-7H2
(3)InChIKey: QVEAVDHTWIVBSX-UHFFFAOYSA-N